N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide

C20H28N2O4S — CID 9030499

IUPACN-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N(CC)CC)cc2)cc1OCC
InChIInChI=1S/C20H28N2O4S/c1-5-22(6-2)17-11-9-16(10-12-17)21-27(23,24)18-13-14-19(25-7-3)20(15-18)26-8-4/h9-15,21H,5-8H2,1-4H3
InChIKeyQBOSKMKYHPQIDZ-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.13
Rot. Bonds10

About N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide

N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide (PubChem CID 9030499) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
PubChem CID9030499
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC NameN-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N(CC)CC)cc2)cc1OCC
InChIInChI=1S/C20H28N2O4S/c1-5-22(6-2)17-11-9-16(10-12-17)21-27(23,24)18-13-14-19(25-7-3)20(15-18)26-8-4/h9-15,21H,5-8H2,1-4H3
InChIKeyQBOSKMKYHPQIDZ-UHFFFAOYSA-N
XLogP4.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 27658093
S-[4-[(3,4-diethoxyphenyl)sulfonylamino]phenyl] N,N-dimethylcarbamothioate
CID 56508235
3,4-diethoxy-N-(3-iodophenyl)benzenesulfonamide
CID 27658180
3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 9030518
3,4-diethoxy-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 17481529
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3839904
N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112984727
3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55346054
3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide
CID 8851611
N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656762
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide (CID 9030499) is N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(N(CC)CC)cc2)cc1OCC.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide?
The InChIKey is QBOSKMKYHPQIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-5-22(6-2)17-11-9-16(10-12-17)21-27(23,24)18-13-14-19(25-7-3)20(15-18)26-8-4/h9-15,21H,5-8H2,1-4H3.
What are the key properties of N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide?
N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide has a molecular weight of 392.52 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 9030499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).